(5Z)-3-amino-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
Formula:C8H6N2OS3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-3-amino-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-3-amino-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one |
| MolecularFormula | C8H6N2OS3 |
| Smiles | NN(C(/C(/S1)=C/c2cccs2)=O)C1=S |
| InChI | InChI=1S/C8H6N2OS3/c9-10-7(11)6(14-8(10)12)4-5-2-1-3-13-5/h1-4H,9H2 |
| InChIK | AKGLQVRMOUEOTF-UHFFFAOYSA-N |
| TotalMolweight | 242.347 |
| Molweight | 242.347 |
| MonoisotopicMass | 241.964223 |
| CLogP | -0.297 |
| CLogS | -3.366 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 167.18 |
| Relative PSA | 0.58446 |
| PolarSurfaceArea | 131.96 |
| Druglikeness | 1.2036 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 1 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 3 |
| StereoCon |
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